Geometry & MOs

Info

ID:	364444
PubChem CID:	127315696
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	5.78
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations